7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate

C62H78O11Si2 — CID 157438043

About 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate

7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate (PubChem CID 157438043) has the molecular formula C62H78O11Si2 and a molecular weight of 1055.47 g/mol. Its IUPAC name is 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate.

Molecular Properties

• Compound Name: 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate
• PubChem CID: 157438043
• Molecular Formula: C62H78O11Si2
• Molecular Weight: 1055.47 g/mol
• Exact Mass: 1054.51
• IUPAC Name: 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate
• SMILES: COc1cc2c(c(OC)c1OC)CCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2O.COc1cc2c(c(OC)c1OC)CCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2OC(C)=O
• InChI: InChI=1S/C32H40O6Si.C30H38O5Si/c1-22(33)37-28-20-23(18-19-26-27(28)21-29(34-5)31(36-7)30(26)35-6)38-39(32(2,3)4,24-14-10-8-11-15-24)25-16-12-9-13-17-25;1-30(2,3)36(22-13-9-7-10-14-22,23-15-11-8-12-16-23)35-21-17-18-24-25(26(31)19-21)20-27(32-4)29(34-6)28(24)33-5/h8-17,21,23,28H,18-20H2,1-7H3;7-16,20-21,26,31H,17-19H2,1-6H3
• InChIKey: BRIKINGXWDDLTI-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 120.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.47
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate?

The IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate (CID 157438043) is 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate.

What is the SMILES notation for 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate?

The canonical SMILES for 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate is COc1cc2c(c(OC)c1OC)CCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2O.COc1cc2c(c(OC)c1OC)CCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2OC(C)=O.

What is the InChIKey of 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate?

The InChIKey is BRIKINGXWDDLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O6Si.C30H38O5Si/c1-22(33)37-28-20-23(18-19-26-27(28)21-29(34-5)31(36-7)30(26)35-6)38-39(32(2,3)4,24-14-10-8-11-15-24)25-16-12-9-13-17-25;1-30(2,3)36(22-13-9-7-10-14-22,23-15-11-8-12-16-23)35-21-17-18-24-25(26(31)19-21)20-27(32-4)29(34-6)28(24)33-5/h8-17,21,23,28H,18-20H2,1-7H3;7-16,20-21,26,31H,17-19H2,1-6H3.

What are the key properties of 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate?

7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate has a molecular weight of 1055.47 g/mol, XLogP of 10.63, 15 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate is sourced from PubChem (CID 157438043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).